1-(3-ethyl-1,2-oxazol-5-yl)-N-[[1-(3-fluorophenyl)-3-(5-methylfuran-2-yl)pyrazol-4-yl]methyl]methanamine

C21H21FN4O2 — CID 29085444

IUPAC1-(3-ethyl-1,2-oxazol-5-yl)-N-[[1-(3-fluorophenyl)-3-(5-methylfuran-2-yl)pyrazol-4-yl]methyl]methanamine
SMILESCCc1cc(CNCc2cn(-c3cccc(F)c3)nc2-c2ccc(C)o2)on1
InChIInChI=1S/C21H21FN4O2/c1-3-17-10-19(28-25-17)12-23-11-15-13-26(18-6-4-5-16(22)9-18)24-21(15)20-8-7-14(2)27-20/h4-10,13,23H,3,11-12H2,1-2H3
InChIKeyRWARYCJGQSPIRA-UHFFFAOYSA-N
MW380.42 g/mol
LogP4.42
Rot. Bonds7

About 1-(3-ethyl-1,2-oxazol-5-yl)-N-[[1-(3-fluorophenyl)-3-(5-methylfuran-2-yl)pyrazol-4-yl]methyl]methanamine

1-(3-ethyl-1,2-oxazol-5-yl)-N-[[1-(3-fluorophenyl)-3-(5-methylfuran-2-yl)pyrazol-4-yl]methyl]methanamine (PubChem CID 29085444) has the molecular formula C21H21FN4O2 and a molecular weight of 380.42 g/mol. Its IUPAC name is 1-(3-ethyl-1,2-oxazol-5-yl)-N-[[1-(3-fluorophenyl)-3-(5-methylfuran-2-yl)pyrazol-4-yl]methyl]methanamine.

Molecular Properties

Compound Name1-(3-ethyl-1,2-oxazol-5-yl)-N-[[1-(3-fluorophenyl)-3-(5-methylfuran-2-yl)pyrazol-4-yl]methyl]methanamine
PubChem CID29085444
Molecular FormulaC21H21FN4O2
Molecular Weight380.42 g/mol
Exact Mass380.16
IUPAC Name1-(3-ethyl-1,2-oxazol-5-yl)-N-[[1-(3-fluorophenyl)-3-(5-methylfuran-2-yl)pyrazol-4-yl]methyl]methanamine
SMILESCCc1cc(CNCc2cn(-c3cccc(F)c3)nc2-c2ccc(C)o2)on1
InChIInChI=1S/C21H21FN4O2/c1-3-17-10-19(28-25-17)12-23-11-15-13-26(18-6-4-5-16(22)9-18)24-21(15)20-8-7-14(2)27-20/h4-10,13,23H,3,11-12H2,1-2H3
InChIKeyRWARYCJGQSPIRA-UHFFFAOYSA-N
XLogP4.42
TPSA69.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.42
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(3-ethyl-1,2-oxazol-5-yl)-N-[[1-(3-fluorophenyl)-3-(5-methylfuran-2-yl)pyrazol-4-yl]methyl]methanamine?
The IUPAC name of 1-(3-ethyl-1,2-oxazol-5-yl)-N-[[1-(3-fluorophenyl)-3-(5-methylfuran-2-yl)pyrazol-4-yl]methyl]methanamine (CID 29085444) is 1-(3-ethyl-1,2-oxazol-5-yl)-N-[[1-(3-fluorophenyl)-3-(5-methylfuran-2-yl)pyrazol-4-yl]methyl]methanamine.
What is the SMILES notation for 1-(3-ethyl-1,2-oxazol-5-yl)-N-[[1-(3-fluorophenyl)-3-(5-methylfuran-2-yl)pyrazol-4-yl]methyl]methanamine?
The canonical SMILES for 1-(3-ethyl-1,2-oxazol-5-yl)-N-[[1-(3-fluorophenyl)-3-(5-methylfuran-2-yl)pyrazol-4-yl]methyl]methanamine is CCc1cc(CNCc2cn(-c3cccc(F)c3)nc2-c2ccc(C)o2)on1.
What is the InChIKey of 1-(3-ethyl-1,2-oxazol-5-yl)-N-[[1-(3-fluorophenyl)-3-(5-methylfuran-2-yl)pyrazol-4-yl]methyl]methanamine?
The InChIKey is RWARYCJGQSPIRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21FN4O2/c1-3-17-10-19(28-25-17)12-23-11-15-13-26(18-6-4-5-16(22)9-18)24-21(15)20-8-7-14(2)27-20/h4-10,13,23H,3,11-12H2,1-2H3.
What are the key properties of 1-(3-ethyl-1,2-oxazol-5-yl)-N-[[1-(3-fluorophenyl)-3-(5-methylfuran-2-yl)pyrazol-4-yl]methyl]methanamine?
1-(3-ethyl-1,2-oxazol-5-yl)-N-[[1-(3-fluorophenyl)-3-(5-methylfuran-2-yl)pyrazol-4-yl]methyl]methanamine has a molecular weight of 380.42 g/mol, XLogP of 4.42, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethyl-1,2-oxazol-5-yl)-N-[[1-(3-fluorophenyl)-3-(5-methylfuran-2-yl)pyrazol-4-yl]methyl]methanamine is sourced from PubChem (CID 29085444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).